Problem simulating Curie temperature

[Diego López]

Dear Vampire users,

I am using Vampire software to compute Curie temperature of a magnetic 2D material from the spin Hamiltonian obtained using SIESTA+TB2J.

In attached file you can see an example of a Curie temperature simulation. Usually one can expect the magnetization at low T to be close to 0 and then decrease with T, but in this case magnetization always starts at low values and then increases to a maximum. After that the behavior is the expected for a Curie temperature simulation and the result is compatible with the one expected. 

How could I solve that? I have been using Vampire for several months and it is the first time that I observe this behavior. I have attached the input and output files for the simulations.

Cheers,

Diego

[Richard Evans]

Hi Diego,

Yes - your interaction list is weird. You have a very strong AFM Jxx, and weaker FM Jyy and Jzz, leading to frustration. I think this is probably an error, as there should not be such a strong uniaxial symmetry along x. So, I would check again the parameters from siesta.

Cheers,

Richard

Diego<Curie.png>

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<vampire.UCF><vampire.mat><output><input><Curie.png>